SCHEMBL5435607

SCHEMBL5435607

COc1cc2c(cc1NS(=O)(=O)c1ccc(NCc3ccc(F)cc3)cc1)CCN(C)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.60
DRD3 P35462 8/20 0.60
HTR2C P28335 7/20 0.60
HTR6 P50406 7/20 0.60
HTR2A P28223 6/20 0.60
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
ABCB1 P08183 1/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TRIM24 O15164 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5445098 1.00 DRD2 (0.60) DRD2DRD3HTR2CHTR6HTR2A
Hydrochloric Acid SCHEMBL5449108 0.99 DRD2 (0.59) DRD2DRD3HTR2CHTR6HTR2A
Hydrochloric Acid SCHEMBL5443066 0.99 DRD2 (0.59) DRD2DRD3HTR2CHTR6HTR2A
SCHEMBL14580863 0.93 DRD2 (0.53) DRD2DRD3HTR2CHTR6HTR2A
SCHEMBL5446502 0.89 ALDH1A1 (0.47) DRD2DRD3HTR2CHTR6HTR2A
Hydrochloric Acid SCHEMBL5451623 0.88 ALDH1A1 (0.47) DRD2DRD3HTR2CHTR6HTR2A
SCHEMBL5444702 0.86 ALOX12 (0.52) DRD2DRD3HTR2CHTR6HTR2A
SCHEMBL3898390 0.84 KMT2A (0.43) DRD2DRD3HTR2CHTR6HTR2A
Hydrochloric Acid SCHEMBL3892939 0.83 KMT2A (0.43) DRD2DRD3HTR2CHTR6HTR2A
SCHEMBL14580859 0.83 HTR2C (0.58) DRD2DRD3HTR2CHTR6HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US claimed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents SIGMAR1, CHRM1, OPRM1 DRD2 25/4885DRD3 9/4885HTR2C 30/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.